8IQ0
Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-21 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.97849 |
| Spacegroup name | P 1 |
| Unit cell lengths | 74.348, 91.474, 91.164 |
| Unit cell angles | 85.00, 78.06, 66.76 |
Refinement procedure
| Resolution | 30.680 - 1.880 |
| R-factor | 0.2031 |
| Rwork | 0.201 |
| R-free | 0.24450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.905 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.059 | 0.509 |
| Number of reflections | 163377 | 8475 |
| <I/σ(I)> | 20.2 | 2.5 |
| Completeness [%] | 93.1 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.996 | 0.888 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 25%PEG4000, 150mM ammonium sulfate and 100 mM MES |
